SCHEMBL7948446

SCHEMBL7948446

O=C(NSCCOc1cccc(Cl)c1)Nc1ccc(NC(=O)c2ccccc2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 9/20 0.46
NPC1 O15118 8/20 0.46
PNLIP P16233 1/20 0.45
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TLR8 Q9NR97 1/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7939190 0.92 KMT2A (0.49) KMT2AMEN1TDP1RAB9ANPC1
SCHEMBL7945565 0.83 KMT2A (0.50) KMT2AMEN1TDP1RAB9ANPC1
SCHEMBL7948467 0.83 KMT2A (0.50) KMT2AMEN1TDP1RAB9ANPC1
SCHEMBL6815522 0.79 GAA (0.50) KMT2AMEN1TDP1RAB9ANPC1
SCHEMBL7947599 0.76 MEN1 (0.55) KMT2AMEN1TDP1RAB9ANPC1
SCHEMBL6815532 0.76 NPC1 (0.46) KMT2AMEN1TDP1RAB9ANPC1
SCHEMBL7946507 0.75 KMT2A (0.53) KMT2AMEN1TDP1RAB9ANPC1
SCHEMBL7946439 0.74 KMT2A (0.58) KMT2AMEN1TDP1RAB9ANPC1
SCHEMBL7945583 0.74 KMT2A (0.49) KMT2AMEN1TDP1RAB9ANPC1
SCHEMBL7947593 0.73 LMNA (0.63) KMT2AMEN1TDP1RAB9ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 US disclosed